Electron-phonon interaction, superconductivity and thermal conductivity of palladium carbide using ab initio calculation

► PdC is mechanically stable in both RS and NiAs structure. ► Electronic band structure and DOS shows metallic nature in both phases. ► Lattice dynamics calculation also confirms that the NiAs-PdC structure is unstable while RS-PdC is stable. ► The isotropic electron-phonon coupling constant is calculated. ► The electrical resistivity and thermal conductivity shows well defined nature.